Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 303.82638 [g/mol] Molecular Formula C18H22ClNO XLogP 4 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 7 Exact Mass 303.138992 MonoIsotopic Mass 303.138992 Topological Polar Surface Area 23.5 Heavy Atom Count 21 Formal Charge 0 Complexity 272 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 1-(4-chlorophenyl)-3-(methyl-(2-phenylethyl)amino)propan-1-ol
Canonical SMILES: CN(CCC1=CC=CC=C1)CCC(C2=CC=C(C=C2)Cl)O
InChI: InChI=1/C18H22ClNO/c1-20(13-11-15-5-3-2-4-6-15)14-12-18(21)16-7-9-17(19)
10-8-16/h2-10,18,21H,11-14H2,1H3
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